(4-nitrophenyl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (4-nitrophenyl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (4-nitrophenyl) 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (4-nitrophenyl) ester Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-9(16)14-12(7-8-21-2)13(17)20-11-5-3-10(4-6-11)15(18)19/h3-6,12H,7-8H2,1-2H3,(H,14,16)